Information card for entry 2216681

Structure parameters

• Chemical name: 2-(1,3-Dioxolan-2-yl)phenol
• Formula: C9 H10 O3
• Calculated formula: C9 H10 O3
• SMILES: c1(c(O)cccc1)C1OCCO1
• Title of publication: 2-(1,3-Dioxolan-2-yl)phenol
• Authors of publication: Kretz, Tonia; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4684 - o4684
• a: 7.4564 ± 0.0015 Å
• b: 11.172 ± 0.002 Å
• c: 19.633 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1635.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes